1-[(2,3-dimethoxyphenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-ium

Systemtic Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-ium Openeye Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-ium CAS Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-ium IUPAC Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-ium Traditional Name: 1-o-veratryl-4-(2,4,5-trimethoxybenzyl)piperazin-1-ium Formula: C23H33N2O5+ MolecularWeight: 417.51852

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C[NH+]2CCN(CC2)CC3=CC(=C(C=C3OC)OC)OC

Isomeric SMILES

COC1=CC=CC(=C1OC)C[NH+]2CCN(CC2)CC3=CC(=C(C=C3OC)OC)OC

InChI

InChI=1S/C23H32N2O5/c1-26-19-8-6-7-17(23(19)30-5)15-24-9-11-25(12-10-24)16-18-13-21(28-3)22(29-4)14-20(18)27-2/h6-8,13-14H,9-12,15-16H2,1-5H3/p+1